- InChI
- InChI=1S/C6H13Br/c1-2-3-4-5-6-7/h2-6H2,1H3
- InChI Key
- MNDIARAMWBIKFW-UHFFFAOYSA-N
- Formula
- C6H13Br
- SMILES
- CCCCCCBr
- Molecular Weight1
- 165.07
- CAS
- 111-25-1
- Other Names
-
- 1-Bromohexane
- 1-Hexyl bromide
- 1-hexylbromide
- Bromohexane
- Hexyl bromide
- N-HEXYL BROMIDE
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- n0 : Refractive Index.
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- S°liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
- csound,fluid : Speed of sound in fluid (m/s).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | -4024.60 ± 1.60 | kJ/mol | NIST |
| ΔfG° | 13.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -150.10 ± 2.10 | kJ/mol | NIST |
| ΔfH°liquid | -194.50 ± 1.60 | kJ/mol | NIST |
| ΔfusH° | 16.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.39 | kJ/mol | Joback Calculated Property |
| IE | [9.91; 10.06] | eV |
|
| IE | 9.91 | eV | NIST |
| IE | 10.06 ± 0.05 | eV | NIST |
| log10WS | [-3.81; -3.81] |
|
|
| log10WS | -3.81 | Aq. Sol... | |
| log10WS | -3.81 | Estimat... | |
| logPoct/wat | 2.962 | Crippen Calculated Property | |
| McVol | 112.900 | ml/mol | McGowan Calculated Property |
| Pc | 3360.64 | kPa | Joback Calculated Property |
| Inp | [918.00; 982.00] |
|
|
| Inp | 920.60 | NIST | |
| Inp | 921.40 | NIST | |
| Inp | 935.00 | NIST | |
| Inp | Outlier 982.00 | NIST | |
| Inp | 918.30 | NIST | |
| Inp | 918.00 | NIST | |
| Inp | 942.00 | NIST | |
| Inp | 960.00 | NIST | |
| Inp | 948.00 | NIST | |
| Inp | 951.00 | NIST | |
| Inp | 964.00 | NIST | |
| Inp | 940.00 | NIST | |
| Inp | 927.00 | NIST | |
| Inp | 938.00 | NIST | |
| Inp | 926.00 | NIST | |
| Inp | 923.00 | NIST | |
| Inp | 923.00 | NIST | |
| I | [1147.00; 1187.00] |
|
|
| I | 1167.00 | NIST | |
| I | 1159.00 | NIST | |
| I | 1147.00 | NIST | |
| I | Outlier 1187.00 | NIST | |
| I | 1160.00 | NIST | |
| I | 1156.00 | NIST | |
| I | 1163.00 | NIST | |
| I | 1163.00 | NIST | |
| S°liquid | 452.92 | J/mol×K | NIST |
| Tboil | [427.75; 430.00] | K |
|
| Tboil | 427.75 | K | KDB |
| Tboil | 428.50 | K | Vapor-l... |
| Tboil | 429.00 ± 2.00 | K | NIST |
| Tboil | 428.50 | K | NIST |
| Tboil | 428.00 | K | NIST |
| Tboil | 430.00 ± 0.25 | K | NIST |
| Tc | 586.57 | K | Joback Calculated Property |
| Tfus | [188.10; 188.45] | K |
|
| Tfus | 188.25 | K | Aq. Sol... |
| Tfus | 188.45 ± 0.60 | K | NIST |
| Tfus | 188.10 ± 0.20 | K | NIST |
| Vc | 0.433 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [197.64; 254.97] | J/mol×K | [402.84; 586.57] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 200 210 220 230 240 250 260 400 450 500 550 | ||||
| Cp,gas | 197.64 | J/mol×K | 402.84 | Joback Calculated Property |
| Cp,gas | 208.32 | J/mol×K | 433.46 | Joback Calculated Property |
| Cp,gas | 218.53 | J/mol×K | 464.08 | Joback Calculated Property |
| Cp,gas | 228.28 | J/mol×K | 494.70 | Joback Calculated Property |
| Cp,gas | 237.59 | J/mol×K | 525.33 | Joback Calculated Property |
| Cp,gas | 246.48 | J/mol×K | 555.95 | Joback Calculated Property |
| Cp,gas | 254.97 | J/mol×K | 586.57 | Joback Calculated Property |
| Cp,liquid | [203.55; 260.17] | J/mol×K | [284.15; 423.15] |
|
|
T(K) Liquid phase heat capacity (J/mol×K) 200 210 220 230 240 250 260 300 350 400 | ||||
| Cp,liquid | 215.54 | J/mol×K | 284.15 | Heat Ca... |
| Cp,liquid | 216.29 | J/mol×K | 286.65 | Heat Ca... |
| Cp,liquid | 217.08 | J/mol×K | 289.15 | Heat Ca... |
| Cp,liquid | 217.78 | J/mol×K | 291.65 | Heat Ca... |
| Cp,liquid | 218.54 | J/mol×K | 294.15 | Heat Ca... |
| Cp,liquid | 219.26 | J/mol×K | 296.65 | Heat Ca... |
| Cp,liquid | 219.70 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 219.66 | J/mol×K | 298.15 | Isobari... |
| Cp,liquid | 203.55 | J/mol×K | 298.80 | NIST |
| Cp,liquid | 219.99 | J/mol×K | 299.15 | Heat Ca... |
| Cp,liquid | 220.68 | J/mol×K | 301.65 | Heat Ca... |
| Cp,liquid | 221.28 | J/mol×K | 303.15 | Isobari... |
| Cp,liquid | 221.38 | J/mol×K | 304.15 | Heat Ca... |
| Cp,liquid | 222.22 | J/mol×K | 306.65 | Heat Ca... |
| Cp,liquid | 222.90 | J/mol×K | 308.15 | Isobari... |
| Cp,liquid | 222.98 | J/mol×K | 309.15 | Heat Ca... |
| Cp,liquid | 223.79 | J/mol×K | 311.65 | Heat Ca... |
| Cp,liquid | 224.51 | J/mol×K | 313.15 | Isobari... |
| Cp,liquid | 224.63 | J/mol×K | 314.15 | Heat Ca... |
| Cp,liquid | 225.37 | J/mol×K | 316.65 | Heat Ca... |
| Cp,liquid | 226.13 | J/mol×K | 318.15 | Isobari... |
| Cp,liquid | 226.20 | J/mol×K | 319.15 | Heat Ca... |
| Cp,liquid | 227.01 | J/mol×K | 321.65 | Heat Ca... |
| Cp,liquid | 227.77 | J/mol×K | 323.15 | Isobari... |
| Cp,liquid | 227.86 | J/mol×K | 324.15 | Heat Ca... |
| Cp,liquid | 228.67 | J/mol×K | 326.65 | Heat Ca... |
| Cp,liquid | 229.38 | J/mol×K | 328.15 | Isobari... |
| Cp,liquid | 229.55 | J/mol×K | 329.15 | Heat Ca... |
| Cp,liquid | 230.39 | J/mol×K | 331.65 | Heat Ca... |
| Cp,liquid | 231.00 | J/mol×K | 333.15 | Isobari... |
| Cp,liquid | 231.21 | J/mol×K | 334.15 | Heat Ca... |
| Cp,liquid | 231.59 | J/mol×K | 336.65 | Heat Ca... |
| Cp,liquid | 232.62 | J/mol×K | 338.15 | Isobari... |
| Cp,liquid | 233.25 | J/mol×K | 339.15 | Heat Ca... |
| Cp,liquid | 233.77 | J/mol×K | 341.65 | Heat Ca... |
| Cp,liquid | 234.24 | J/mol×K | 343.15 | Isobari... |
| Cp,liquid | 234.73 | J/mol×K | 344.15 | Heat Ca... |
| Cp,liquid | 235.64 | J/mol×K | 346.65 | Heat Ca... |
| Cp,liquid | 235.87 | J/mol×K | 348.15 | Isobari... |
| Cp,liquid | 236.55 | J/mol×K | 349.15 | Heat Ca... |
| Cp,liquid | 237.39 | J/mol×K | 351.65 | Heat Ca... |
| Cp,liquid | 237.49 | J/mol×K | 353.15 | Isobari... |
| Cp,liquid | 237.85 | J/mol×K | 353.15 | Heat Ca... |
| Cp,liquid | 239.11 | J/mol×K | 358.15 | Isobari... |
| Cp,liquid | 240.72 | J/mol×K | 363.15 | Isobari... |
| Cp,liquid | 242.34 | J/mol×K | 368.15 | Isobari... |
| Cp,liquid | 243.96 | J/mol×K | 373.15 | Isobari... |
| Cp,liquid | 245.59 | J/mol×K | 378.15 | Isobari... |
| Cp,liquid | 247.21 | J/mol×K | 383.15 | Isobari... |
| Cp,liquid | 248.83 | J/mol×K | 388.15 | Isobari... |
| Cp,liquid | 250.45 | J/mol×K | 393.15 | Isobari... |
| Cp,liquid | 252.06 | J/mol×K | 398.15 | Isobari... |
| Cp,liquid | 253.68 | J/mol×K | 403.15 | Isobari... |
| Cp,liquid | 255.32 | J/mol×K | 408.15 | Isobari... |
| Cp,liquid | 256.93 | J/mol×K | 413.15 | Isobari... |
| Cp,liquid | 258.55 | J/mol×K | 418.15 | Isobari... |
| Cp,liquid | 260.17 | J/mol×K | 423.15 | Isobari... |
| η | [0.0003465; 0.0040640] | Pa×s | [217.18; 402.84] |
|
|
T(K) Dynamic viscosity (Pa×s) 0 5.00e-4 1.00e-3 1.50e-3 2.00e-3 2.50e-3 3.00e-3 3.50e-3 4.00e-3 250 300 350 400 | ||||
| η | 0.0040640 | Pa×s | 217.18 | Joback Calculated Property |
| η | 0.0020875 | Pa×s | 248.12 | Joback Calculated Property |
| η | 0.0012430 | Pa×s | 279.07 | Joback Calculated Property |
| η | 0.0008208 | Pa×s | 310.01 | Joback Calculated Property |
| η | 0.0005844 | Pa×s | 340.95 | Joback Calculated Property |
| η | 0.0004403 | Pa×s | 371.90 | Joback Calculated Property |
| η | 0.0003465 | Pa×s | 402.84 | Joback Calculated Property |
| ΔfusH | [18.05; 18.05] | kJ/mol | [188.10; 188.10] |
|
| ΔfusH | 18.05 | kJ/mol | 188.10 | NIST |
| ΔfusH | 18.05 | kJ/mol | 188.10 | NIST |
| ΔfusH | 18.05 | kJ/mol | 188.10 | NIST |
| ΔvapH | 43.20 | kJ/mol | 394.50 | NIST |
| Pvap | 101.33 | kPa | 428.50 | Vapor-l... |
| n0 | 1.44640 | 298.15 | Densiti... | |
| ρl | [1040.90; 1218.00] | kg/m3 | [253.15; 403.15] |
|
|
T(K) Liquid Density (kg/m3) 1050 1100 1150 1200 250 300 350 400 | ||||
| ρl | 1218.00 | kg/m3 | 253.15 | Density... |
| ρl | 1195.30 | kg/m3 | 273.15 | Density... |
| ρl | 1183.80 | kg/m3 | 283.15 | Density... |
| ρl | 1166.80 | kg/m3 | 298.15 | Density... |
| ρl | 1137.30 | kg/m3 | 323.15 | Density... |
| ρl | 1113.70 | kg/m3 | 343.15 | Density... |
| ρl | 1090.80 | kg/m3 | 363.15 | Density... |
| ρl | 1066.10 | kg/m3 | 383.15 | Density... |
| ρl | 1040.90 | kg/m3 | 403.15 | Density... |
| ΔfusS | [95.98; 95.98] | J/mol×K | [188.10; 188.10] |
|
| ΔfusS | 95.98 | J/mol×K | 188.10 | NIST |
| ΔfusS | 95.98 | J/mol×K | 188.10 | NIST |
| csound,fluid | [709.98; 1273.76] | m/s | [243.60; 423.23] |
|
|
T(K) Speed of sound in fluid (m/s) 700 800 900 1000 1100 1200 1300 250 300 350 400 | ||||
| csound,fluid | 1273.76 | m/s | 243.60 | Speed o... |
| csound,fluid | 1172.85 | m/s | 273.31 | Speed o... |
| csound,fluid | 1073.63 | m/s | 303.20 | Speed o... |
| csound,fluid | 1009.29 | m/s | 323.20 | Speed o... |
| csound,fluid | 916.03 | m/s | 353.16 | Speed o... |
| csound,fluid | 826.35 | m/s | 383.19 | Speed o... |
| csound,fluid | 767.47 | m/s | 403.25 | Speed o... |
| csound,fluid | 709.98 | m/s | 423.23 | Speed o... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [322.76; 454.54] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.53188e+01 | |||
| Coefficient B | -3.94571e+03 | |||
| Coefficient C | -6.02590e+01 | |||
| Temperature range, min. | 322.76 | |||
| Temperature range, max. | 454.54 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 350 400 450 | ||||
| Pvap | 1.33 | kPa | 322.76 | Calculated Property |
| Pvap | 2.95 | kPa | 337.40 | Calculated Property |
| Pvap | 6.03 | kPa | 352.04 | Calculated Property |
| Pvap | 11.50 | kPa | 366.69 | Calculated Property |
| Pvap | 20.69 | kPa | 381.33 | Calculated Property |
| Pvap | 35.36 | kPa | 395.97 | Calculated Property |
| Pvap | 57.79 | kPa | 410.61 | Calculated Property |
| Pvap | 90.79 | kPa | 425.26 | Calculated Property |
| Pvap | 137.76 | kPa | 439.90 | Calculated Property |
| Pvap | 202.65 | kPa | 454.54 | Calculated Property |
| Pvap | [3.54; 198.01] | kPa | [333.15; 456.15] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 9.28810e+01 | |||
| Coefficient B | -8.58497e+03 | |||
| Coefficient C | -1.14706e+01 | |||
| Coefficient D | 7.01862e-06 | |||
| Temperature range, min. | 333.15 | |||
| Temperature range, max. | 456.15 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 350 400 450 | ||||
| Pvap | 3.54 | kPa | 333.15 | Calculated Property |
| Pvap | 6.57 | kPa | 346.82 | Calculated Property |
| Pvap | 11.53 | kPa | 360.48 | Calculated Property |
| Pvap | 19.27 | kPa | 374.15 | Calculated Property |
| Pvap | 30.84 | kPa | 387.82 | Calculated Property |
| Pvap | 47.51 | kPa | 401.48 | Calculated Property |
| Pvap | 70.75 | kPa | 415.15 | Calculated Property |
| Pvap | 102.28 | kPa | 428.82 | Calculated Property |
| Pvap | 143.99 | kPa | 442.48 | Calculated Property |
| Pvap | 198.01 | kPa | 456.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexane, 1-bromo-.
Mixtures
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
- Vapor-liquid equilibrium in the production of the ionic liquid, 1-hexyl-3-methylimidazolium bromide ([HMIm][Br]), in acetone
- Densities, speeds of sound, isentropic compressibilities, refractive indexes, and viscosities of tetrahydrofuran with haloalkane or alkyl ethanoate at T = 303.15 K
- Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
- Density of Some 1-Bromoalkanes within the Temperature Range from (243.15 to 423.15) K
- Speed of Sound, Densities, and Isentropic Compressibilities of Liquid 1-Bromoalkanes at Temperatures from (243.15 to 423.15) K
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.